3,4-Hexanedione Chemical Properties

Melting point:

-10 °C

Boiling point:

131 °C (lit.)

Density 

0.939 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.41(lit.)

FEMA 

3168 | 3,4-HEXANEDIONE

Flash point:

88 °F

storage temp. 

Sealed in dry,2-8°C

form 

Liquid

color 

Clear yellow

Odor

at 1.00 % in dipropylene glycol. buttery toasted almond nutty caramellic

Odor Type

buttery

biological source

synthetic

Water Solubility 

127 g/L (20 ºC)

JECFA Number

413

BRN 

1700837

LogP

-0.27

CAS DataBase Reference

4437-51-8(CAS DataBase Reference)

NIST Chemistry Reference

3,4-Hexanedione(4437-51-8)

EPA Substance Registry System

3,4-Hexanedione (4437-51-8)

Safety Information

Hazard Codes 

Xn

Risk Statements 

10-36/38-20

Safety Statements 

23-24/25-37/39-26-16

RIDADR 

UN 1224 3/PG 3

WGK Germany 

1

TSCA 

Yes

HazardClass 

3

PackingGroup 

III

HS Code 

29141900

MSDS

• Language:English Provider:3,4-Hexanedione
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

3,4-Hexanedione Usage And Synthesis

Description

3,4-Hexanedione has a pungent, unpleasant odor reminiscent of butter and a taste similar to that of diacetyl. May be prepared synthetically by condensation of ethyl propionate in the presence of sodium metal, followed by oxidation of the resulting propionin with copper acetate or ferric chloride.

Chemical Properties

clear yellow liquid

Chemical Properties

3,4-Hexanedione has an aromatic, toasty, burnt, buttery, nutty, caramel-eggy, pungent odor.

Occurrence

Reported found in cauliflower, coffee

Definition

ChEBI: 3,4-Hexanedione is an alpha-diketone.

Preparation

By condensation of ethyl propionate in the presence of sodium metal, followed by oxidation of the resulting propionin with copper acetate or ferric chloride.

Aroma threshold values

Aroma characteristics at 1.0%: sweet buttery, creamy, slightly cooked caramel and burnt sugary reminiscent of ghee and eggy vanillas.

Taste threshold values

Taste characteristics at 5 ppm: sweet buttery, creamy, pound cake and egg caramel-like with vanilla nuances.

General Description

The dermal irritation and sensitization potential of 3,4-hexanedione (used as constituents of synthetic flavoring agent) was studied using a murine model. The 3,4-hexanedione derivatives inhibited oxoglutarate transport.

Biochem/physiol Actions

Odor at 1.0%

3,4-Hexanedione(4437-51-8)Related Product Information

• RHODIZONIC ACID DIHYDRATE
• 1,2-Cyclohexanedione
• DL-CAMPHORQUINONE
• (1S)-(+)-CAMPHORQUINONE
• 2,5-dibromo-3,4-hexanedione,2,5-DIBROMO-3,4-HEXANEDIONE, 95,2,5-dibromo-4-hexanedion
• RHODIZONIC ACID DIPOTASSIUM SALT
• (1R)-(-)-CAMPHORQUINONE
• Sodium rhodizonate
• 2,5-Hexanedione
• 3-Methyl-1,2-cyclopentanedione
• Diethyl succinosuccinate
• 2-ACETYL-1,3-CYCLOHEXANEDIONE
• Dimedone
• 1,3-Cyclohexanedione
• 1,4-Cyclohexanedione
• 1,1,1-trifluoro-5-methyl-4-hexanedion
• Sulcotrione
• 1,4-Dioxane-2,5-dione